3-[(4-aminophenyl)methyl]-5-(3-cyclopentyloxy-4-methoxy-phenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-one; 5-(3-cyclopentyloxy-4-methoxy-phenyl)-6-ethyl-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one

Systemtic Name: 3-[(4-aminophenyl)methyl]-5-(3-cyclopentyloxy-4-methoxy-phenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-one; 5-(3-cyclopentyloxy-4-methoxy-phenyl)-6-ethyl-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Openeye Name: 3-[(4-aminophenyl)methyl]-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-6-ethyl-6H-1,3,4-thiadiazin-2-one; 5-[3-(cyclopentoxy)-4-methoxy-phenyl]-6-ethyl-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one CAS Name: 3-[(4-aminophenyl)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-one; 5-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethyl-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one IUPAC Name: 3-[(4-aminophenyl)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-one; 5-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethyl-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Traditional Name: 3-(4-aminobenzyl)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-6-ethyl-6H-1,3,4-thiadiazin-2-one; 5-[3-(cyclopentoxy)-4-methoxy-phenyl]-6-ethyl-3-(4-nitrobenzyl)-6H-1,3,4-thiadiazin-2-one Formula: C48H56N6O8S2 MolecularWeight: 909.12364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)N)C3=CC(=C(C=C3)OC)OC4CCCC4.CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)N)C3=CC(=C(C=C3)OC)OC4CCCC4.CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C24H27N3O5S.C24H29N3O3S/c1-3-22-23(17-10-13-20(31-2)21(14-17)32-19-6-4-5-7-19)25-26(24(28)33-22)15-16-8-11-18(12-9-16)27(29)30;1-3-22-23(26-27(24(28)31-22)15-16-8-11-18(25)12-9-16)17-10-13-20(29-2)21(14-17)30-19-6-4-5-7-19/h8-14,19,22H,3-7,15H2,1-2H3;8-14,19,22H,3-7,15,25H2,1-2H3